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29727-65-9 | L-Isoleucine, L-alanyl-
CAS No: 29727-65-9 Catalog No: AG002Z80 MDL No:
Product Description
Catalog Number:
AG002Z80
Chemical Name:
L-Isoleucine, L-alanyl-
CAS Number:
29727-65-9
Molecular Formula:
C9H18N2O3
Molecular Weight:
202.2508
IUPAC Name:
(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C9H18N2O3/c1-4-5(2)7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t5-,6-,7-/m0/s1
InChI Key:
ZSOICJZJSRWNHX-ACZMJKKPSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H](N)C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
202.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.254g/mol
Monoisotopic Mass:
202.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
Literature
| Title | Journal |
|---|---|
| Transport and signaling via the amino acid binding site of the yeast Gap1 amino acid transceptor. | Nature chemical biology 20090101 |
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